5-(5-hydroxy-7-methoxy-3-oxo-1H-2-benzofuran-1-yl)-2-prop-1-enyl-1H-pyridin-4-one

Details

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Internal ID 2feef81c-ae2e-4ff3-a162-3be4d802b79b
Taxonomy Organoheterocyclic compounds > Benzofurans > Benzofuranones
IUPAC Name 5-(5-hydroxy-7-methoxy-3-oxo-1H-2-benzofuran-1-yl)-2-prop-1-enyl-1H-pyridin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H15NO5/c1-3-4-9-5-13(20)12(8-18-9)16-15-11(17(21)23-16)6-10(19)7-14(15)22-2/h3-8,16,19H,1-2H3,(H,18,20)
InChI Key NVUHVZUPJHEJGT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H15NO5
Molecular Weight 313.30 g/mol
Exact Mass 313.09502258 g/mol
Topological Polar Surface Area (TPSA) 84.90 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(5-hydroxy-7-methoxy-3-oxo-1H-2-benzofuran-1-yl)-2-prop-1-enyl-1H-pyridin-4-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.93% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.94% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.46% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.11% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.06% 86.33%
CHEMBL2581 P07339 Cathepsin D 91.87% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.81% 96.09%
CHEMBL2535 P11166 Glucose transporter 91.73% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.76% 94.45%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.92% 92.94%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.78% 99.23%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.60% 93.03%
CHEMBL1951 P21397 Monoamine oxidase A 86.55% 91.49%
CHEMBL1937 Q92769 Histone deacetylase 2 84.31% 94.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.71% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.78% 93.99%
CHEMBL4208 P20618 Proteasome component C5 81.43% 90.00%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.80% 83.10%
CHEMBL3194 P02766 Transthyretin 80.76% 90.71%
CHEMBL213 P08588 Beta-1 adrenergic receptor 80.68% 95.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162990288
LOTUS LTS0069650
wikiData Q105186418